2,4-bis({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methylidene)thiolan-3-one
Chemical Structure Depiction of
2,4-bis({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methylidene)thiolan-3-one
2,4-bis({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methylidene)thiolan-3-one
Compound characteristics
| Compound ID: | C249-0166 |
| Compound Name: | 2,4-bis({4-methoxy-3-[(1H-pyrazol-1-yl)methyl]phenyl}methylidene)thiolan-3-one |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C28 H26 N4 O3 S |
| Smiles: | COc1ccc(/C=C2CSC(=C/c3ccc(c(Cn4cccn4)c3)OC)\C/2=O)cc1Cn1cccn1 |
| Stereo: | ACHIRAL |
| logP: | 3.9797 |
| logD: | 3.9797 |
| logSw: | -4.0458 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.707 |
| InChI Key: | YTWQEDINELJGPZ-UHFFFAOYSA-N |